SCHEMBL8065022

SCHEMBL8065022

COc1ccc(N2CCN(C)CC2)c2c1CCC(NC(=O)c1ccccc1N1CCOCC1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.48
▸ DRD2 P14416 5/20 0.48
▸ MTNR1A P48039 4/20 0.46
▸ MTNR1B P49286 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ HTR1D P28221 2/20 0.43
▸ HTR1B P28222 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ ADRA1A P35348 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ HTR2A P28223 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6816368 0.86 DRD2 (0.50) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL7246466 0.86 DRD2 (0.50) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL6816380 0.86 DRD2 (0.50) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL7482232 0.85 DRD4 (0.48) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL6820059 0.83 MTNR1A (0.47) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL6820035 0.83 MTNR1A (0.47) DRD4DRD2MTNR1AMTNR1BDRD3
SCHEMBL6816677 0.77 SMN1; SMN2 (0.42) GAASMN1; SMN2
SCHEMBL8075560 0.77 KCNH2 (0.61) DRD2MTNR1AMTNR1BDRD3SMN1; SMN2
SCHEMBL7236226 0.77 USP30 (0.44) DRD2DRD3HTR1BKMT2AHTR2A
SCHEMBL7236221 0.77 USP30 (0.44) DRD2DRD3HTR1BKMT2AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 — — EP disclosed
WO-1999005134-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1999-02-04 — — WO disclosed
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